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288862-83-9

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Basic Information
CAS No.: 288862-83-9
Name: 1-OXAZOLO[4,5-B]PYRIDIN-2-YL-6-PHENYLHEXAN-1-ONE
Molecular Structure:
Molecular Structure of 288862-83-9 (1-OXAZOLO[4,5-B]PYRIDIN-2-YL-6-PHENYLHEXAN-1-ONE)
Formula: C18H18N2O2
Molecular Weight: 294.34772
Synonyms: 1-(Oxazolo[4,5-b]pyridin-2-yl)-1-oxo-6-phenylhexane;CAY 10402;
Density: 1.172 g/cm3
Boiling Point: 460.78 °C at 760 mmHg
Flash Point: 232.472 °C
PSA: 55.99000
LogP: 4.20860
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Specification

The CAS register number of 1-Hexanone,1-oxazolo[4,5-b]pyridin-2-yl-6-phenyl- is 288862-83-9. It also can be called as 1-(Oxazolo[4,5-b]pyridin-2-yl)-1-oxo-6-phenylhexane and the systematic name about this chemical is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one. The molecular formula about this chemical is C18H18N2O2 and the molecular weight is 294.34772.

Physical properties about 1-Hexanone,1-oxazolo[4,5-b]pyridin-2-yl-6-phenyl- are: (1)ACD/LogP: 4.66; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 315; (5)ACD/BCF (pH 7.4): 315; (6)ACD/KOC (pH 5.5): 2137; (7)ACD/KOC (pH 7.4): 2137; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 55.99 Å2; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 85.624 cm3; (13)Molar Volume: 251.05 cm3; (14)Polarizability: 33.944x10-24cm3; (15)Surface Tension: 50.683 dyne/cm; (16)Density: 1.172 g/cm3; (17)Flash Point: 232.472 °C; (18)Enthalpy of Vaporization: 72.152 kJ/mol; (19)Boiling Point: 460.78 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc2ncccc2o1)CCCCCc3ccccc3
(2)InChI: InChI=1/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
(3)InChIKey: VPZHQLPAKFVGKX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
(5)Std. InChIKey: VPZHQLPAKFVGKX-UHFFFAOYSA-N